[,-Bis(2-hy-droxy-eth-yl)di-thio-carbamato-κ,']bis-(tri-phenyl-phosphane-κ)copper(I) chloro-form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements.

Acta Crystallogr E Crystallogr Commun

Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.

Published: December 2016

The title compound, [Cu(CHNOS)(CHP)]·CHCl, features a tetra-hedrally coordinated Cu atom within a PS donor set defined by two phosphane P atoms and by two S atoms derived from a symmetrically coordinating di-thio-carbamate ligand. Both intra- and inter-molecular hy-droxy-O-H⋯O(hydroxy) hydrogen bonding is observed: the former closes an eight-membered {⋯HOCNCO} ring, whereas the latter connects centrosymmetrically related mol-ecules into dimeric aggregates eight-membered {⋯H-O⋯H-O} synthons. The complex mol-ecules are arranged to form channels along the axis in which reside the chloro-form mol-ecules, being connected by Cl⋯π(arene) and short S⋯Cl [3.3488 (9) Å] inter-actions. The inter-molecular inter-actions have been investigated further by Hirshfeld surface analysis, which shows the conventional hydrogen bonding to be very localized with the main contributors to the surface, at nearly 60%, being H⋯H contacts. Solution NMR studies indicate that whilst the same basic mol-ecular structure is retained in solution, the tri-phenyl-phosphane ligands are highly labile, exchanging rapidly with free PhP at room temperature.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137612PMC
http://dx.doi.org/10.1107/S2056989016017837DOI Listing

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